CID 10200390

Bay 61-3606

Structural Information

Molecular Formula
C20H18N6O3
SMILES
COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
InChI
InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
InChIKey
JWQOJVOKBAAAAR-UHFFFAOYSA-N
Compound name
2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

608
Patents

390.14404 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15132 191.7
[M+Na]+ 413.13326 206.4
[M+NH4]+ 408.17786 196.7
[M+K]+ 429.10720 202.0
[M-H]- 389.13676 196.4
[M+Na-2H]- 411.11871 200.3
[M]+ 390.14349 194.9
[M]- 390.14459 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe